1,3-dimethyl-5-phenoxyindole-2-carbaldehyde

C17H15NO2 — CID 82501585

IUPAC1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
SMILESCc1c(C=O)n(C)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C17H15NO2/c1-12-15-10-14(20-13-6-4-3-5-7-13)8-9-16(15)18(2)17(12)11-19/h3-11H,1-2H3
InChIKeyCAZLAVHBSVVBQP-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.09
Rot. Bonds3

About 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde

1,3-dimethyl-5-phenoxyindole-2-carbaldehyde (PubChem CID 82501585) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
PubChem CID82501585
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
SMILESCc1c(C=O)n(C)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C17H15NO2/c1-12-15-10-14(20-13-6-4-3-5-7-13)8-9-16(15)18(2)17(12)11-19/h3-11H,1-2H3
InChIKeyCAZLAVHBSVVBQP-UHFFFAOYSA-N
XLogP4.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
5,6-dimethoxy-1,3-dimethylindole-2-carbaldehyde
CID 82496043
(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate
CID 44514830
1,3-dimethyl-4-phenoxyquinolin-2-one
CID 151532277
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
1-methyl-2-(4-methylphenoxy)indole-3-carbaldehyde
CID 2763797
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
CID 10064291
1,3,4-trimethylindole-2-carbaldehyde
CID 105442636
2,4-diphenoxybenzaldehyde
CID 87301631
2-formyl-1,3-dimethylindole-6-carbonitrile
CID 105451422
8-phenoxyphenanthridine-6-carbaldehyde
CID 178074620

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde (CID 82501585) is 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde is Cc1c(C=O)n(C)c2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde?
The InChIKey is CAZLAVHBSVVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-15-10-14(20-13-6-4-3-5-7-13)8-9-16(15)18(2)17(12)11-19/h3-11H,1-2H3.
What are the key properties of 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde?
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde has a molecular weight of 265.31 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenoxyindole-2-carbaldehyde is sourced from PubChem (CID 82501585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).